5-methyl-2-methylidene-5-nitro-hexanoic acid

Systemtic Name: 5-methyl-2-methylidene-5-nitro-hexanoic acid Openeye Name: 5-methyl-2-methylene-5-nitro-hexanoic acid CAS Name: 5-methyl-2-methylene-5-nitrohexanoic acid IUPAC Name: 5-methyl-2-methylidene-5-nitrohexanoic acid Traditional Name: 2-(3-methyl-3-nitro-butyl)acrylic acid Formula: C8H13NO4 MolecularWeight: 187.19312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(=C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CCC(=C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H13NO4/c1-6(7(10)11)4-5-8(2,3)9(12)13/h1,4-5H2,2-3H3,(H,10,11)